![6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one structure](/static/products/2971/297159-42-3.webp)
6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one
TL;DR: 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one (CAS 297159-42-3) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylsulfanylphenyl)-5-nitropiperidin-2-one
Also Known As: 6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one, SDCCGMLS-0065070.P001, BAS 04377782, BIM-0047836.P001, 6-(4-methylsulfanylphenyl)-5-nitropiperidin-2-one
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.0049 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 460.89526 |
Chemical Identifiers
| CAS Number | 297159-42-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-] |
Product Overview
6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one (CAS 297159-42-3), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: 6-(4-methylsulfanylphenyl)-5-nitropiperidin-2-one.
Chemical Property Profile of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one
Property Insights of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one
The XLogP value of 2.0049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one. Following Lipinski's Rule of Five, 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one?
The CAS number of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one is 297159-42-3.
What is the molecular formula of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one?
The molecular formula of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one is C12H14N2O3S.
What is the molecular weight of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one?
The molecular weight of 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one is 266.07 g/mol.
Where can I buy 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one?
You can request a quote for 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(Methylsulfanyl)phenyl]-5-nitropiperidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.